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6TJB
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BU of 6tjb by Molmil
Crystal structure of the computationally designed Cake2 protein
分子名称: Cake2, GLYCEROL
著者Laier, I, Mylemans, B, Noguchi, H, Voet, A.R.D.
登録日2019-11-26
公開日2020-05-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural plasticity of a designer protein sheds light on beta-propeller protein evolution.
Febs J., 288, 2021
6TJI
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BU of 6tji by Molmil
Crystal structure of the computationally designed Cake10 protein
分子名称: Cake10, PHOSPHATE ION
著者Laier, I, Mylemans, B, Voet, A.R.D, Noguchi, H.
登録日2019-11-26
公開日2020-05-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural plasticity of a designer protein sheds light on beta-propeller protein evolution.
Febs J., 288, 2021
4MTP
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BU of 4mtp by Molmil
RdRp from Japanesese Encephalitis Virus
分子名称: RNA dependent RNA polymerase, ZINC ION
著者Surana, P, Nair, D.T.
登録日2013-09-20
公開日2013-12-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.65 Å)
主引用文献RNA-dependent RNA polymerase of Japanese encephalitis virus binds the initiator nucleotide GTP to form a mechanistically important pre-initiation state.
Nucleic Acids Res., 42, 2014
4Q8D
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BU of 4q8d by Molmil
Crystal structure of a macrocyclic beta-sheet peptide containing two beta-strands from amyloid beta residues 15-23
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, macrocyclic beta-sheet peptide incorporating residues amyloid beta 15-23
著者Pham, J.D, Spencer, R.K, Chen, K.H, Nowick, J.S.
登録日2014-04-26
公開日2014-08-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.746 Å)
主引用文献A Fibril-Like Assembly of Oligomers of a Peptide Derived from beta-Amyloid.
J.Am.Chem.Soc., 136, 2014
4OXW
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BU of 4oxw by Molmil
X-ray structure of a designed CISK-PX domain
分子名称: SULFATE ION, designed CISK-PX domain
著者Zhang, Y, Shultis, D.D, Dodge, G.
登録日2014-02-07
公開日2015-01-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献X-ray structure of a designed CISK-PX domain
To Be Published
4OZA
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BU of 4oza by Molmil
Backbone Modifications in the Protein GB1 Helix: beta-3-Ala24, beta-3-Lys28, beta-3-Gln32, beta-3-Asp36
分子名称: ISOPROPYL ALCOHOL, Streptococcal Protein GB1 Backbone Modified Variant: beta-3-Ala24, beta-3-Lys28, ...
著者Reinert, Z.E, Horne, W.S.
登録日2014-02-14
公開日2014-07-16
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.201 Å)
主引用文献Folding Thermodynamics of Protein-Like Oligomers with Heterogeneous Backbones.
Chem Sci, 5, 2014
4P4X
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BU of 4p4x by Molmil
Dodecamer formed by a macrocyclic peptide derived from beta-2-microglobulin (63-69) - (ORN)YLL(PHI)YTE(ORN)KVA(MLE)AVK
分子名称: CHLORIDE ION, CYCLIC HEXADECAPEPTIDE (ORN)YLL(PH7)YTE(ORN)KVA(MLE)AVK, SULFATE ION
著者Spencer, R.K, Nowick, J.S.
登録日2014-03-13
公開日2015-05-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.898 Å)
主引用文献X-ray Crystallographic Structures of Oligomers of Peptides Derived from beta 2-Microglobulin.
J.Am.Chem.Soc., 137, 2015
4P4W
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BU of 4p4w by Molmil
Dodecamer formed by a macrocyclic peptide derived from beta-2-microglobulin (63-69) - (ORN)YLL(PHI)YTE(ORN)KVA(MVA)AVK
分子名称: CHLORIDE ION, CYCLIC HEXADECAPEPTIDE (ORN)YLL(PHI)YTE(ORN)KVA(MVA)AVK, SODIUM ION, ...
著者Spencer, R.K, Kreutzer, A, Nowick, J.S.
登録日2014-03-13
公開日2015-05-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.498 Å)
主引用文献X-ray Crystallographic Structures of Oligomers of Peptides Derived from beta 2-Microglobulin.
J.Am.Chem.Soc., 137, 2015
3RFN
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BU of 3rfn by Molmil
Epitope backbone grafting by computational design for improved presentation of linear epitopes on scaffold proteins
分子名称: BB_1wnu_001, ZINC ION
著者Azoitei, M.L, Ban, Y.A, Julien, J.P, Bryson, S, Schroeter, A, Kalyuzhniy, O, Porter, J.R, Adachi, Y, Baker, D, Szabo, E, Pai, E.F, Schief, W.R.
登録日2011-04-06
公開日2011-11-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Computational design of high-affinity epitope scaffolds by backbone grafting of a linear epitope.
J.Mol.Biol., 415, 2012
3OG3
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BU of 3og3 by Molmil
Crystal structure of an artificial thermostable (BA)8-barrel protein from identical half barrels
分子名称: CHLORIDE ION, Imidazole glycerol phosphate synthase subunit hisF, SULFATE ION
著者Sperl, J.M, Bocola, M, List, F, Kellerer, B, Sterner, R.
登録日2010-08-16
公開日2011-08-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Design of an artificial thermostable (BA)8-barrel protein from identical half barrels
To be Published
3RHU
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BU of 3rhu by Molmil
Epitope backbone grafting by computational design for improved presentation of linear epitopes on scaffold proteins
分子名称: SC_1wnu
著者Azoitei, M.L, Ban, Y.A, Julien, J.P, Bryson, S, Schroeter, A, Kalyuzhniy, O, Porter, J.R, Adachi, Y, Baker, D, Szabo, E, Pai, E.F, Schief, W.R.
登録日2011-04-12
公開日2011-11-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Computational design of high-affinity epitope scaffolds by backbone grafting of a linear epitope.
J.Mol.Biol., 415, 2012
4QTR
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BU of 4qtr by Molmil
Computational design of co-assembling protein-DNA nanowires
分子名称: DNA (5'-D(P*CP*GP*GP*AP*AP*AP*TP*TP*AP*AP*AP*TP*TP*AP*CP*A)-3'), DNA (5'-D(P*GP*TP*GP*TP*AP*AP*TP*TP*TP*AP*AP*TP*TP*TP*CP*C)-3'), dualENH
著者Mou, Y, Mayo, S.L.
登録日2014-07-08
公開日2015-07-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Computational design of co-assembling protein-DNA nanowires.
Nature, 525, 2015
3P46
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BU of 3p46 by Molmil
Integrin binding collagen peptide
分子名称: Synthetic collagen peptide
著者McEwan, P.A, Emsley, J.
登録日2010-10-06
公開日2011-01-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献End-stapled homo and hetero collagen triple helices: a click chemistry approach.
Chem.Commun.(Camb.), 47, 2011
3RI0
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BU of 3ri0 by Molmil
Epitope backbone grafting by computational design for improved presentation of linear epitopes on scaffold proteins
分子名称: BB_2cx5_001, GLYCEROL, SULFATE ION
著者Azoitei, M.L, Ban, Y.A, Julien, J.P, Bryson, S, Schroeter, A, Kalyuzhniy, O, Porter, J.R, Adachi, Y, Baker, D, Szabo, E, Pai, E.F, Schief, W.R.
登録日2011-04-12
公開日2011-11-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Computational design of high-affinity epitope scaffolds by backbone grafting of a linear epitope.
J.Mol.Biol., 415, 2012
4OZB
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BU of 4ozb by Molmil
Backbone Modifications in the Protein GB1 Helix: beta-ACPC24, beta-3-Lys28, beta-3-Lys31, beta-ACPC35
分子名称: GLYCEROL, Streptococcal Protein GB1 Backbone Modified Variant: beta-ACPC24, beta-3-Lys28, ...
著者Reinert, Z.E, Horne, W.S.
登録日2014-02-14
公開日2014-07-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Folding Thermodynamics of Protein-Like Oligomers with Heterogeneous Backbones.
Chem Sci, 5, 2014
4R6J
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BU of 4r6j by Molmil
Crystal structure of computaional designed Lucine rich repeats DLRR_H in space group P212121
分子名称: Lucine rich repeats DLRR_H, SULFATE ION
著者Shen, B.W, Stoddard, B.L.
登録日2014-08-25
公開日2015-01-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Control of repeat-protein curvature by computational protein design.
Nat.Struct.Mol.Biol., 22, 2015
3RIJ
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BU of 3rij by Molmil
Epitope backbone grafting by computational design for improved presentation of linear epitopes on scaffold proteins
分子名称: GLYCEROL, SC_2cx5
著者Azoitei, M.L, Ban, Y.A, Julien, J.P, Bryson, S, Schroeter, A, Kalyuzhniy, O, Porter, J.R, Adachi, Y, Baker, D, Szabo, E, Pai, E.F, Schief, W.R.
登録日2011-04-13
公開日2011-11-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Computational design of high-affinity epitope scaffolds by backbone grafting of a linear epitope.
J.Mol.Biol., 415, 2012
1Z9W
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BU of 1z9w by Molmil
Tetrameric structure of apo-7,8-Dihydroneopterin Aldolase from Mycobacterium tuberculosis
分子名称: Dihydroneopterin aldolase
著者Goulding, C.W, Apostol, M.I, Sawaya, M.R, Philips, M, Parseghian, A, Eisenberg, D, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB)
登録日2005-04-05
公開日2005-04-19
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Regulation by oligomerization in a mycobacterial folate biosynthetic enzyme.
J.Mol.Biol., 349, 2005
6NSO
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BU of 6nso by Molmil
An Unexpected Intermediate in the Reaction Catalyzed by Quinolinate Synthase
分子名称: 1,3-DIHYDROXYACETONEPHOSPHATE, IRON/SULFUR CLUSTER, Quinolinate synthase A
著者Esakova, O.A, Grove, T.L, Silakov, A, Yennawar, N.H, Booker, S.J.
登録日2019-01-25
公開日2019-10-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献An Unexpected Species Determined by X-ray Crystallography that May Represent an Intermediate in the Reaction Catalyzed by Quinolinate Synthase.
J.Am.Chem.Soc., 141, 2019
6NSU
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BU of 6nsu by Molmil
Crystallographic Capture of Quinolinate Synthase (NadA) from Pyrococcus horikoshii in its Substrates and Product-Bound States
分子名称: DIDEHYDROASPARTATE, IRON/SULFUR CLUSTER, Quinolinate synthase A
著者Esakova, O.A, Grove, T.L, Silakov, A, Yennawar, N.H, Booker, S.J.
登録日2019-01-25
公開日2019-08-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献An Unexpected Species Determined by X-ray Crystallography that May Represent an Intermediate in the Reaction Catalyzed by Quinolinate Synthase.
J.Am.Chem.Soc., 141, 2019
6NMI
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BU of 6nmi by Molmil
Cryo-EM structure of the human TFIIH core complex
分子名称: CDK-activating kinase assembly factor MAT1, General transcription and DNA repair factor IIH helicase subunit XPB, General transcription and DNA repair factor IIH helicase subunit XPD, ...
著者Greber, B.J, Toso, D, Fang, J, Nogales, E.
登録日2019-01-10
公開日2019-03-13
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献The complete structure of the human TFIIH core complex.
Elife, 8, 2019
6OR8
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BU of 6or8 by Molmil
An Unexpected Intermediate in the Reaction Catalyzed by Quinolinate Synthase
分子名称: 2-hydroxy-N-[(1S)-1-hydroxy-3-oxopropyl]-L-aspartic acid, IRON/SULFUR CLUSTER, PHOSPHATE ION, ...
著者Esakova, O.A, Grove, T.L, Yennawar, N.H, Booker, S.J.
登録日2019-04-29
公開日2019-10-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献An Unexpected Species Determined by X-ray Crystallography that May Represent an Intermediate in the Reaction Catalyzed by Quinolinate Synthase.
J.Am.Chem.Soc., 141, 2019
6ORA
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BU of 6ora by Molmil
An Unexpected Intermediate in the Reaction Catalyzed by Quinolinate Synthase
分子名称: (2~{Z})-2-(1-oxidanyl-3-oxidanylidene-propyl)iminobutanedioic acid, 2-hydroxy-N-[(1S)-1-hydroxy-3-oxopropyl]-L-aspartic acid, ACETATE ION, ...
著者Esakova, O.A, Grove, T.L, Silakov, A, Yennawar, N.H, Booker, S.J.
登録日2019-04-29
公開日2019-08-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献An Unexpected Species Determined by X-ray Crystallography that May Represent an Intermediate in the Reaction Catalyzed by Quinolinate Synthase.
J.Am.Chem.Soc., 141, 2019
4IL6
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BU of 4il6 by Molmil
Structure of Sr-substituted photosystem II
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Koua, F.H.M, Umena, Y, Kawakami, K, Kamiya, N, Shen, J.R.
登録日2012-12-29
公開日2013-03-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of Sr-substituted photosystem II at 2.1 A resolution and its implications in the mechanism of water oxidation
Proc.Natl.Acad.Sci.USA, 110, 2013
3RU8
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BU of 3ru8 by Molmil
Structure of an HIV epitope scaffold in complex with neutralizing antibody b12 Fab
分子名称: Antibody b12, Heavy Chain, Light Chain, ...
著者Carrico, C.T.D, Strong, R.K.
登録日2011-05-04
公開日2011-11-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Computation-guided backbone grafting of a discontinuous motif onto a protein scaffold.
Science, 334, 2011

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